5TXG

Crystal structure of the Zika virus NS3 helicase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	51.639, 69.855, 58.461
Unit cell angles	90.00, 93.41, 90.00

Refinement procedure

Resolution	29.970 - 2.050
R-factor	0.18706
Rwork	0.184
R-free	0.24674
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jrz
RMSD bond length	0.009
RMSD bond angle	1.398
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.073	0.635
Number of reflections	25603
<I/σ(I)>	17.7	2.3
Completeness [%]	98.1	97.2
Redundancy	4.5	4.4
CC(1/2)		0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	292	Protein: 13.0 mg/ml, 0.5M Sodium chloride, 0.05M Tris-HCl pH=8.5; JCSG+ B12: 0.2 M tri-Potassium citrate, 20 %(w/v) PEG 3350